CO 2 , N 2 and H 2 adsorption in Zn 2+ -containing zeolites and metal–organic frameworks

Physical Chemistry Chemical Physics 2026 Open access

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Authors: Pragnya Paramita Samal, Fabian Berger, Saïlaja Krishnamurty, Joachim Sauer
DOI: 10.1039/d5cp04169d
Cited by: 2
References: 97

Abstract

We employ a chemically accurate (±4 kJ mol −1 ) embedding approach to calculate enthalpies for CO 2 , N 2 , and H 2 adsorption in the Zn 2+ containing zeolites FAU and CHA and for CO 2 and H 2 in the metal–organic frameworks (MOFs) Zn-MOF-74 and CALF-20.

Fields of Study & Subjects

Metal-Organic Frameworks: Synthesis and Applications Carbon Dioxide Capture Technologies Phase Equilibria and Thermodynamics

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
8
Pages
5161–5174
Publication date
1 January 2026
Language
EN